S3Y
Summary
| Name: | [(4S)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol |
| Formula: | C9 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 213.664 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(4S)-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol |
| OpenEye OEToolkits | 2.0.7 | [(4~{R})-1-(4-chlorophenyl)-1,2,3-triazolidin-4-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)C1NNN(C1)c2ccc(cc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H12ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-4,8,11-12,14H,5-6H2 |
| InChIKey | InChI | 1.03 | JIARGTWLSPJECI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1CN(NN1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OC[CH]1CN(NN1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N2C[C@@H](NN2)CO)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N2CC(NN2)CO)Cl |
